1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-benzyl)nipecotic acid Formula: C13H15BrFNO2 MolecularWeight: 316.166103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C13H15BrFNO2/c14-11-4-3-9(12(15)6-11)7-16-5-1-2-10(8-16)13(17)18/h3-4,6,10H,1-2,5,7-8H2,(H,17,18)